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3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551748
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(c1cc(OC)c(c(c1)OC)OC)N(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C43H56N2O12 MW 792.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H56N2O12/c1-25-14-13-17-29(46)16-12-10-11-15-26-18-32(47)39(40(49)38(26)43(50)57-25)30(27-19-33(51-4)41(55-8)34(20-27)52-5)23-37(48)44-24-31(45(2)3)28-21-35(53-6)42(56-9)36(22-28)54-7/h11,15,18-22,25,30-31,47,49H,10,12-14,16-17,23-24H2,1-9H3,(
InChIKey
JWJFXGGPASITAC-BPXJIHJWSA-N
Synonyms

135640100
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(dimethylamino)2(345trimethoxyphenyl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(dimethylamino)2(345trimethoxyphenyl)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(dimethylamino)2(345trimethoxyphenyl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC(c1cc(OC)c(c(c1)OC)OC)N(C)C
InChI=1SC43H56N2O12c12514131729(46)1612101115261832(47)39(40(49)38(26)43(50)5725)30(271933(514)41(558)34(2027)525)2337(48)442431(45(2)3)282135(536)42(569)36(2228)547h111518222530314749H10121416172324H219H3(H4448)b1511+t2530?31?m0s1
ZINC001547139115
ZINC001547139120

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Available files

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